ethyl 2-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-0113 |
| Compound Name: | ethyl 2-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C20 H22 F3 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Cn1c2CCCc2c(C(F)(F)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9762 |
| logD: | 1.6297 |
| logSw: | -4.0655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.603 |
| InChI Key: | XGYXGWYEWXERHZ-UHFFFAOYSA-N |